2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[(4-pyrrolidinosulfonylphenyl)thio]acetamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C21H26N2O3S2/c1-15-12-16(2)21(17(3)13-15)22-20(24)14-27-18-6-8-19(9-7-18)28(25,26)23-10-4-5-11-23/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,22,24)